Structure

InChI Key PHPUXYRXPHEJDF-UHFFFAOYSA-N
Smile CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1
InChI
InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H19NO5
Molecular Weight 401.42
AlogP 3.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 81.7
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135638
ChEMBL CHEMBL1402684
DrugBank DB14627
DrugCentral 2037
EPA CompTox DTXSID9023411
FDA SRS U0Y1YAL65X
PubChem 8269
SureChEMBL SCHEMBL17471461
ZINC ZINC000003831258